N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide

C18H20FN3O3S — CID 155988728

IUPACN-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C18H20FN3O3S/c1-21-10-12-22(13-11-21)16-6-2-14(3-7-16)18(23)20-26(24,25)17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyJXKHNHWIULQTML-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.70
Rot. Bonds4

About N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide

N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 155988728) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID155988728
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C18H20FN3O3S/c1-21-10-12-22(13-11-21)16-6-2-14(3-7-16)18(23)20-26(24,25)17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyJXKHNHWIULQTML-UHFFFAOYSA-N
XLogP1.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
CID 141044251
4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890263
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
4-(4-methylpiperazin-1-yl)benzoate
CID 86673981
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 46678541
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
CID 47053580
4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4787079
4-bromo-N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 124545824
N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide
CID 177376836
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 4037453
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 1262123

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide (CID 155988728) is N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is JXKHNHWIULQTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-21-10-12-22(13-11-21)16-6-2-14(3-7-16)18(23)20-26(24,25)17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide?
N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 155988728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).